SCHEMBL4380644

SCHEMBL4380644

NCC(=O)NCCCC[C@H](C(N)=O)N(O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.43
MMP14 P50281 8/20 0.43
CA1 P00915 7/20 0.43
CA2 P00918 7/20 0.43
CA9 Q16790 7/20 0.43
MMP8 P22894 6/20 0.43
MMP9 P14780 7/20 0.43
MMP1 P03956 6/20 0.43
MMP16 P51512 4/20 0.43
CA12 O43570 4/20 0.42
MMP13 P45452 6/20 0.42
ADAM17 P78536 2/20 0.42
MMP3 P08254 4/20 0.42
MMP12 P39900 1/20 0.42
EPOR P19235 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP7 P09237 1/20 0.39
MAPT P10636 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1800017 0.86 MMP2 (0.44) MMP2MMP14MMP8MMP9MMP1
SCHEMBL1799173 0.86 MMP2 (0.41) MMP2MMP14CA1CA2CA9
SCHEMBL4290484 0.81 LMNA (0.38) MMP2MMP14CA1CA2CA9
SCHEMBL4372258 0.77 F2 (0.41) MMP2MMP14MMP9MMP1MMP13
SCHEMBL4371642 0.75 PTGES (0.48) MMP2MMP14CA1CA2CA9
SCHEMBL4371638 0.75 PTGES (0.48) MMP2MMP14CA1CA2CA9
SCHEMBL3872450 0.74 MMP13 (0.56) MMP2MMP14MMP9MMP1MMP13
SCHEMBL4292057 0.73 TBXA2R (0.38) MMP2MMP14MMP9MEN1KMT2A
SCHEMBL4382917 0.72 MMP2 (0.40) MMP2MMP14MMP8MMP9MMP1
SCHEMBL6757287 0.72 MMP1 (0.46) MMP2MMP14MMP8MMP9MMP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP claimed